1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H23NO2/c1-15-7-8-18(13-16(15)2)20(23)9-10-21(24)22-12-11-17-5-3-4-6-19(17)14-22/h3-8,13H,9-12,14H2,1-2H3